SCHEMBL12808491

SCHEMBL12808491

C=C1N[C@]2(C(N)=O)C[C@H]2/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=C)N2CCC[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PDE4B Q07343 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12784514 0.93 F2 (0.36) F2F10PRSS1PDE4B
SCHEMBL12785105 0.93 F2 (0.37) F2F10PRSS1PDE4B
SCHEMBL12784601 0.93 ADRB3 (0.34) F2F10PRSS1
SCHEMBL12784573 0.86 — —
SCHEMBL12784569 0.86 ADRB3 (0.32) —
SCHEMBL12783924 0.85 ADRB3 (0.38) F2F10PRSS1
SCHEMBL12808437 0.85 ADRB3 (0.38) F2F10PRSS1
SCHEMBL8237405 0.85 F2 (0.39) F2F10PRSS1PDE4B
SCHEMBL13711316 0.82 ADRB3 (0.33) F2F10PRSS1
SCHEMBL12808493 0.81 ADRB3 (0.39) PDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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